Information card for entry 2233102

Structure parameters

• Chemical name: Methyl (<i>Z</i>)-2-[(2,4-dioxothiazolidin-3-yl)methyl]- 3-(2-methylphenyl)prop-2-enoate
• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: S1C(=O)N(C/C(=C\c2ccccc2C)C(=O)OC)C(=O)C1
• Title of publication: Methyl (<i>Z</i>)-2-[(2,4-dioxothiazolidin-3-yl)methyl]-3-(2-methylphenyl)prop-2-enoate
• Authors of publication: Vijayakumar, S.; Murugavel, S.; Kannan, D.; Bakthadoss, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o156 - o157
• a: 21.3744 ± 0.001 Å
• b: 6.9762 ± 0.0003 Å
• c: 20.3084 ± 0.001 Å
• α: 90°
• β: 103.361 ± 0.002°
• γ: 90°
• Cell volume: 2946.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes